기본 정보
- CAS
148461-13-6- 표준 SMILES
c1ccc(C[C@H]2COC(c3ccccc3P(c3ccccc3)c3ccccc3)=N2)cc1- InChIKey
PXKBZZCPBWBSKT-QHCPKHFHSA-N- 분자식
- C28H24NOP
- 평균 분자량
- 421.5 g/mol
- 단동위원소 질량
- 421.15955139
이름 및 식별자
- 우선 이름
- (S)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
- IUPAC
- [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
- 영어명
- (4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-(phenylMethyl)-Oxazole
- 분자식
- C28H24NOP
- 분자량
- 421.47
이름 및 동의어
148461-13-6(S)-4-benzyl-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole(S)-Bn-PHOXMFCD30541667(4S)-4-benzyl-2-[2-(diphenylphosphanyl)phenyl]-4,5-dihydro-1,3-oxazoleOxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-(phenylmethyl)-, (4S)-(4S)-2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4-(phenylmethyl)oxazole[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane(4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-(phenylMethyl)-Oxazole(S)-4-Benzyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazoleSCHEMBL5606047WLZ4991
이름 더 보기
(+)-(4S)-4-Benzyl-4,5-dihydro-2--4-oxazole(4S)-2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4-(phenylmethyl)oxazole,99%e.e.
AKOS030528929AS-73466SY412391CS-0029496F826781(S)-4-benzyl-2-(2-(diphenylphosphaneyl)phenyl)-4,5-dihydrooxazole(S)-4-benzyl-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole[2-[(4S)-4-benzyl-4,5-dihydrooxazol-2-yl]phenyl]-diphenyl-phosphane
데이터베이스 식별자
- CAS
148461-13-6- PubChem CID
- 10875716
- Nikkaji
- J601.285J
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 21.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 556
물리화학적 성질
- 끓는 점
- 561.5 · 561.5±33.0 °C(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 4.37 · 4.37±0.70(Predicted)
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